SCHEMBL4359000

SCHEMBL4359000

CC(C)CCNc1ncnc2ccc(-c3ccc(C(C)C)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.56
CYP1A2 P05177 11/20 0.52
ALDH1A1 P00352 9/20 0.52
CLK4 Q9HAZ1 8/20 0.52
CYP3A4 P08684 7/20 0.52
CYP2D6 P10635 6/20 0.52
CYP2C19 P33261 5/20 0.52
USP2 O75604 4/20 0.52
MAPK1 P28482 4/20 0.52
CLK1 P49759 1/20 0.49
HSD17B10 Q99714 8/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP1 P29466 2/20 0.48
TSHR P16473 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 3/20 0.47
LMNA P02545 1/20 0.47
CCNC P24863 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4361135 0.90 MAP4K4 (0.62) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4355900 0.89 MAP4K4 (0.60) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL31003507 0.88 MAP4K4 (0.53) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4360601 0.88 MAP4K4 (0.56) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4351915 0.88 MAP4K4 (0.53) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4362368 0.86 MAP4K4 (0.52) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4362413 0.86 MAP4K4 (0.52) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4357517 0.85 MAP4K4 (0.51) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4360637 0.85 MAP4K4 (0.51) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4355137 0.85 MAP4K4 (0.51) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US claimed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 MAP4K4 1801/4885CYP1A2 1131/4885ALDH1A1 2743/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 MAP4K4 1801/4885CYP1A2 1131/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 MAP4K4 1921/4885CYP1A2 1129/4885ALDH1A1 2942/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 MAP4K4 1837/4885CYP1A2 1078/4885ALDH1A1 3119/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 MAP4K4 1837/4885CYP1A2 1078/4885ALDH1A1 3119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.